15-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide

C19H13N3O2S — CID 14459997

IUPAC15-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide
SMILESO=C(Nc1nccs1)C1C(=O)N2c3ccccc3Cc3cccc1c32
InChIInChI=1S/C19H13N3O2S/c23-17(21-19-20-8-9-25-19)15-13-6-3-5-12-10-11-4-1-2-7-14(11)22(16(12)13)18(15)24/h1-9,15H,10H2,(H,20,21,23)
InChIKeyXKPCSZAXWREWSP-UHFFFAOYSA-N
MW347.40 g/mol
LogP3.45
Rot. Bonds2

About 15-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide

15-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide (PubChem CID 14459997) has the molecular formula C19H13N3O2S and a molecular weight of 347.40 g/mol. Its IUPAC name is 15-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide.

Molecular Properties

Compound Name15-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide
PubChem CID14459997
Molecular FormulaC19H13N3O2S
Molecular Weight347.40 g/mol
Exact Mass347.07
IUPAC Name15-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide
SMILESO=C(Nc1nccs1)C1C(=O)N2c3ccccc3Cc3cccc1c32
InChIInChI=1S/C19H13N3O2S/c23-17(21-19-20-8-9-25-19)15-13-6-3-5-12-10-11-4-1-2-7-14(11)22(16(12)13)18(15)24/h1-9,15H,10H2,(H,20,21,23)
InChIKeyXKPCSZAXWREWSP-UHFFFAOYSA-N
XLogP3.45
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 15-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide?
The IUPAC name of 15-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide (CID 14459997) is 15-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide.
What is the SMILES notation for 15-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide?
The canonical SMILES for 15-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide is O=C(Nc1nccs1)C1C(=O)N2c3ccccc3Cc3cccc1c32.
What is the InChIKey of 15-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide?
The InChIKey is XKPCSZAXWREWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2S/c23-17(21-19-20-8-9-25-19)15-13-6-3-5-12-10-11-4-1-2-7-14(11)22(16(12)13)18(15)24/h1-9,15H,10H2,(H,20,21,23).
What are the key properties of 15-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide?
15-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-oxo-N-(1,3-thiazol-2-yl)-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide is sourced from PubChem (CID 14459997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).